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CAS No.: | 5958-24-7 |
---|---|
Name: | 6-CHLORO-2-(CHLOROMETHYL)-3-OXIDO-4-PHENYL-QUINAZOLINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C15H10Cl2N2O |
Molecular Weight: | 305.163 |
Synonyms: | 6-Chloro-2-(chloromethyl)-4-phenyl quinazoline-3-oxide;6-chloro-2-(choromethyl)-4-phenylquina- zoline-3-oxide,5958-24-7;Quinazoline, 6-chloro-2-(chloromethyl)-4-phenyl-, 3-oxide;2-Chloromethyl-4-phenyl-6-chloroquinazoline-3-oxide;6-chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazoline; |
Density: | 1.38 g/cm3 |
Boiling Point: | 495.6 °C at 760 mmHg |
Flash Point: | 253.5 °C |
PSA: | 38.35000 |
LogP: | 4.72250 |
chloroacetyl chloride
2-amino-5-chlorobenzophenone oxime
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
Conditions | Yield |
---|---|
In acetic acid at 50℃; for 0.166667h; | 74% |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 89 percent / NH2OH*HCl / aq. ethanol / 10 h / Heating 2: 74 percent / acetic acid / 0.17 h / 50 °C View Scheme |
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
dimethyl amine
6-Chlor-2-(dimethylamino)methyl-4-phenyl-chinazolin-3-oxid
Conditions | Yield |
---|---|
In methanol for 72h; Ambient temperature; | 97% |
Conditions | Yield |
---|---|
With ammonia In methanol for 72h; Ambient temperature; | 96% |
Conditions | Yield |
---|---|
In methanol for 72h; Ambient temperature; | 76% |
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
aniline
6-Chlor-4-phenyl-2-(phenylamino)methyl-chinazolin-3-oxid
Conditions | Yield |
---|---|
In methanol for 72h; Ambient temperature; | 65% |
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
6-chloro-2-phenylbenzo[d]oxazole
Conditions | Yield |
---|---|
In benzene Irradiation; |
6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide
8-chloro-6-phenyl-1H-benzo[d][1,2,6]oxadiazocin-2-one oxime
Conditions | Yield |
---|---|
With potassium chloride; hydroxylamine hydrochloride In ethanol |
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The Cmpcqo, with the CAS registry number of 5958-24-7, is also known as 6-Chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazoline. This chemical's molecular formula is C15H10Cl2N2O and molecular weight is 305.1587. What's more, its IUPAC name is 6-Chloro-2-(chloromethyl)-3-oxido-4-phenylquinazolin-3-ium.
Physical properties about Cmpcqo are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.54; (6)ACD/BCF (pH 7.4): 9.54; (7)ACD/KOC (pH 5.5): 174.86; (8)ACD/KOC (pH 7.4): 174.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 81.08 cm3; (15)Molar Volume: 219.9 cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.38 g/cm3; (18)Flash Point: 253.5 °C; (19)Enthalpy of Vaporization: 73.42 kJ/mol; (20)Boiling Point: 495.6 °C at 760 mmHg; (21)Vapour Pressure: 1.77E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc2nc([n+]([O-])c(c2c1)c3ccccc3)CCl
(2) InChI: InChI=1/C15H10Cl2N2O/c16-9-14-18-13-7-6-11(17)8-12(13)15(19(14)20)10-4-2-1-3-5-10/h1-8H,9H2
(3) InChIKey: KFDNKXWSTFABQT-UHFFFAOYAZ